3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide

C12H14BrN5O2 — CID 894210

IUPAC3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C12H14BrN5O2/c1-3-6-18-16-12(15-17-18)14-11(19)8-4-5-10(20-2)9(13)7-8/h4-5,7H,3,6H2,1-2H3,(H,14,16,19)
InChIKeyXKJMRDSQTORWAV-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.11
Rot. Bonds5

About 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide

3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 894210) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID894210
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C12H14BrN5O2/c1-3-6-18-16-12(15-17-18)14-11(19)8-4-5-10(20-2)9(13)7-8/h4-5,7H,3,6H2,1-2H3,(H,14,16,19)
InChIKeyXKJMRDSQTORWAV-UHFFFAOYSA-N
XLogP2.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 663030
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
5-bromo-2-methoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894139
4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 938458
5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide
CID 824050
5-bromo-2-methoxy-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 892036
3-bromo-4-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1349706
5-bromo-2-methoxy-3-methyl-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 953805
N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide
CID 965760
4-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 932313
5-bromo-2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 1006523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 894210) is 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2ccc(OC)c(Br)c2)n1.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is XKJMRDSQTORWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-3-6-18-16-12(15-17-18)14-11(19)8-4-5-10(20-2)9(13)7-8/h4-5,7H,3,6H2,1-2H3,(H,14,16,19).
What are the key properties of 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 340.18 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 894210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).